SCHEMBL13074993

SCHEMBL13074993

Bc1nc(-c2cncc(F)c2)sc1NC(=O)C(C)C[S+](C)[O-]

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.35
DYRK1A Q13627 5/20 0.35
XIAP P98170 1/20 0.33
BIRC2 Q13490 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
LIPG Q9Y5X9 2/20 0.32
LIPC P11150 1/20 0.32
PIM1 P11309 1/20 0.31
PTGES O14684 2/20 0.30
TRPM8 Q7Z2W7 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13047732 0.90 PIK3CG (0.35) PIK3CGDYRK1AXIAPBIRC2PTGDR2
SCHEMBL13074937 0.89 PIK3CG (0.35) PIK3CGDYRK1AXIAPBIRC2PTGDR2
SCHEMBL13048232 0.89 PIK3CG (0.35) PIK3CGDYRK1AXIAPBIRC2PTGDR2
SCHEMBL13074543 0.85 DYRK1A (0.39) PIK3CGDYRK1AXIAPBIRC2PTGDR2
SCHEMBL13074994 0.83 LIPG (0.37) PIK3CGDYRK1AXIAPBIRC2PTGDR2
SCHEMBL13047957 0.78 DYRK1A (0.34) PIK3CGDYRK1AXIAPBIRC2LIPG
SCHEMBL13075003 0.77 DYRK1A (0.39) PIK3CGDYRK1AXIAPBIRC2PTGDR2
SCHEMBL290519 0.76 DYRK1A (0.39) PIK3CGDYRK1AXIAPBIRC2PTGDR2
SCHEMBL13048428 0.76 DYRK1A (0.38) PIK3CGDYRK1AXIAPBIRC2PTGDR2
SCHEMBL13048214 0.76 DYRK1A (0.38) PIK3CGDYRK1AXIAPBIRC2PTGDR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010129497-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2010-11-11 WO disclosed